#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1t n ILE 21 N 0.00 2.21 -0.28 0.00 -5.35 -1.26 -4.61 119.36 110.07 1r1t n ILE 21 Ca 0.00 -1.36 0.08 0.00 -0.27 0.00 0.00 62.75 61.20 1r1t n ILE 21 Cb 0.00 -0.06 0.23 0.00 -1.74 0.00 0.00 39.64 38.07 1r1t n ILE 21 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1r1t h ALA 22 N 3.67 1.23 0.00 -1.28 0.00 -2.08 0.16 119.26 120.97 1r1t h ALA 22 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1r1t h ALA 22 Cb 1.62 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1r1t h ALA 22 CO 0.32 -0.19 0.00 0.43 0.00 0.00 0.00 179.25 179.81 1r1t n SER 23 N -4.96 0.37 -0.84 0.00 7.64 -1.26 -2.34 113.62 112.23 1r1t n SER 23 Ca 0.17 0.61 0.08 0.00 1.01 0.00 0.00 58.87 60.74 1r1t n SER 23 Cb 0.48 -0.68 0.18 0.00 -1.01 0.00 0.00 64.21 63.17 1r1t n SER 23 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1r1t n GLU 24 N -1.93 2.36 -4.32 1.43 2.13 0.04 -4.98 120.64 115.36 1r1t n GLU 24 Ca 0.02 -2.05 -0.33 0.00 0.66 0.00 0.00 57.16 55.45 1r1t n GLU 24 Cb 0.15 -1.36 -0.09 0.00 0.27 0.00 0.00 31.44 30.41 1r1t n GLU 24 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1r1t s LEU 25 N -1.10 3.49 -0.01 4.31 1.43 -0.99 -5.11 118.68 120.69 1r1t s LEU 25 Ca 0.29 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1r1t s LEU 25 Cb 0.16 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.42 1r1t s LEU 25 CO 0.22 0.30 0.07 0.00 0.23 0.00 0.00 176.35 177.16 1r1t s GLN 26 N -1.41 0.20 0.68 1.70 -2.07 -1.26 -5.04 119.66 112.46 1r1t s GLN 26 Ca 0.18 -0.12 -0.13 0.00 -1.82 0.00 0.00 55.36 53.47 1r1t s GLN 26 Cb -0.11 0.08 0.01 0.00 -1.09 0.00 0.00 33.01 31.90 1r1t s GLN 26 CO 0.08 -0.04 1.09 0.00 -1.32 0.00 0.00 175.29 175.11 1r1t s ALA 27 N -0.49 2.50 0.61 2.60 0.00 -1.26 -4.98 121.76 120.74 1r1t s ALA 27 Ca -0.06 0.37 -0.18 0.00 0.00 0.00 0.00 51.96 52.09 1r1t s ALA 27 Cb -0.04 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1r1t s ALA 27 CO 0.00 -1.30 1.07 0.44 0.00 0.00 0.00 175.76 175.97 1r1t n ILE 28 N -2.74 4.06 -1.69 0.00 -5.35 -1.26 -4.91 119.36 107.48 1r1t n ILE 28 Ca 0.09 -0.50 -0.38 0.00 -0.27 0.00 0.00 62.75 61.70 1r1t n ILE 28 Cb 0.53 -1.27 0.06 0.00 -1.74 0.00 0.00 39.64 37.22 1r1t n ILE 28 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1r1t n ALA 29 N -1.75 0.93 -0.35 -1.28 0.00 -1.26 -4.72 120.51 112.08 1r1t n ALA 29 Ca 0.14 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.69 1r1t n ALA 29 Cb 0.47 -2.26 0.25 0.00 0.00 0.00 0.00 19.45 17.91 1r1t n ALA 29 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1r1t h PRO 30 N 0.77 0.95 -0.08 0.00 0.13 -1.99 0.24 132.00 132.02 1r1t h PRO 30 Ca -0.50 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.49 1r1t h PRO 30 Cb 1.34 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1r1t h PRO 30 CO 0.53 0.63 -0.34 1.05 -0.23 0.00 0.00 178.00 179.65 1r1t h GLU 31 N 0.98 0.16 -0.10 0.86 9.09 -1.99 -0.63 114.58 122.96 1r1t h GLU 31 Ca 0.48 -0.06 -0.22 0.00 0.05 0.00 0.00 59.36 59.60 1r1t h GLU 31 Cb 0.46 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.56 1r1t h GLU 31 CO -0.24 0.49 -0.82 0.28 0.05 0.00 0.00 179.01 178.77 1r1t h VAL 32 N 0.14 1.32 -0.44 -1.06 2.07 -1.51 -1.94 116.25 114.83 1r1t h VAL 32 Ca 0.02 -2.11 -0.08 0.00 0.82 0.00 0.00 66.70 65.35 1r1t h VAL 32 Cb 0.67 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1r1t h VAL 32 CO 0.05 0.65 -0.05 0.00 0.02 0.00 0.00 177.57 178.24 1r1t h ALA 33 N 0.65 1.09 -0.31 1.67 0.00 -0.62 -0.52 119.26 121.23 1r1t h ALA 33 Ca -0.06 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1r1t h ALA 33 Cb 1.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1r1t h ALA 33 CO 0.16 0.57 -0.21 0.37 0.00 0.00 0.00 179.25 180.13 1r1t h GLN 34 N 0.69 0.68 -0.75 0.00 5.75 -1.05 -0.53 115.11 119.89 1r1t h GLN 34 Ca 0.13 -0.33 -0.03 0.00 -0.15 0.00 0.00 58.65 58.27 1r1t h GLN 34 Cb 0.50 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 1r1t h GLN 34 CO 0.03 0.93 0.34 1.03 -2.65 0.00 0.00 178.83 178.50 1r1t h SER 35 N 0.44 1.00 0.11 -0.69 0.87 -1.16 -1.12 113.55 113.00 1r1t h SER 35 Ca 0.06 -0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.34 1r1t h SER 35 Cb 0.76 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1r1t h SER 35 CO 0.06 0.86 -0.54 0.25 -0.53 0.00 0.00 176.83 176.93 1r1t h LEU 36 N 1.08 0.52 -0.77 2.23 5.85 -0.96 -2.18 115.31 121.08 1r1t h LEU 36 Ca 0.26 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1r1t h LEU 36 Cb 0.15 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1r1t h LEU 36 CO -0.03 0.96 -0.02 0.00 -0.34 0.00 0.00 178.44 179.01 1r1t h ALA 37 N 1.05 0.96 -0.46 1.25 0.00 -0.60 -1.81 119.26 119.66 1r1t h ALA 37 Ca 0.01 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1r1t h ALA 37 Cb 1.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1r1t h ALA 37 CO 0.10 0.62 -0.03 0.93 0.00 0.00 0.00 179.25 180.87 1r1t h GLU 38 N 0.85 0.77 -0.23 0.00 5.08 -1.04 -0.74 114.58 119.28 1r1t h GLU 38 Ca 0.15 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1r1t h GLU 38 Cb 0.52 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1r1t h GLU 38 CO 0.03 0.81 0.08 0.35 -1.00 0.00 0.00 179.01 179.28 1r1t h PHE 39 N 0.72 0.35 -0.10 4.33 3.57 -0.97 -2.08 116.94 122.76 1r1t h PHE 39 Ca 0.14 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1r1t h PHE 39 Cb 0.49 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1r1t h PHE 39 CO 0.02 0.39 -0.31 0.74 -2.23 0.00 0.00 178.31 176.92 1r1t h PHE 40 N 0.21 0.20 -0.59 0.41 0.04 -1.08 -2.60 116.94 113.54 1r1t h PHE 40 Ca 0.07 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 1r1t h PHE 40 Cb 0.19 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 1r1t h PHE 40 CO -0.01 0.48 0.15 0.00 -0.60 0.00 0.00 178.31 178.34 1r1t h ALA 41 N 1.52 1.16 -0.23 2.45 0.00 -0.80 -2.02 119.26 121.35 1r1t h ALA 41 Ca 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1r1t h ALA 41 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1r1t h ALA 41 CO 0.05 0.57 -0.05 0.28 0.00 0.00 0.00 179.25 180.10 1r1t h VAL 42 N 0.87 1.17 0.00 0.00 2.07 -1.00 -2.23 116.25 117.14 1r1t h VAL 42 Ca 0.19 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1r1t h VAL 42 Cb 0.30 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1r1t h VAL 42 CO -0.00 0.23 -0.07 0.18 0.02 0.00 0.00 177.57 177.93 1r1t n LEU 43 N -4.30 0.36 -3.33 2.57 4.77 -0.81 -4.32 117.00 111.95 1r1t n LEU 43 Ca 0.00 0.48 -0.39 0.00 -0.03 0.00 0.00 56.01 56.08 1r1t n LEU 43 Cb 0.24 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1r1t n LEU 43 CO 0.38 -0.06 3.33 0.00 -1.33 0.00 0.00 177.39 179.71 1r1t n ALA 44 N -1.62 7.35 -3.45 -1.18 0.00 -0.84 -4.72 120.51 116.05 1r1t n ALA 44 Ca 0.06 -3.49 -0.15 0.00 0.00 0.00 0.00 53.44 49.86 1r1t n ALA 44 Cb 0.38 -3.37 -0.11 0.00 0.00 0.00 0.00 19.45 16.34 1r1t n ALA 44 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1r1t s ASP 45 N 2.28 1.02 0.31 0.00 -1.08 -1.26 -5.04 116.67 112.90 1r1t s ASP 45 Ca 0.67 -0.08 0.04 0.00 -0.52 0.00 0.00 52.55 52.66 1r1t s ASP 45 Cb 0.17 0.61 0.64 0.00 -1.46 0.00 0.00 42.92 42.88 1r1t s ASP 45 CO -0.06 -0.32 1.87 1.55 0.52 0.00 0.00 175.17 178.73 1r1t h PRO 46 N 8.27 0.88 -0.65 4.34 0.13 -1.97 -1.05 132.00 141.95 1r1t h PRO 46 Ca -0.18 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 1r1t h PRO 46 Cb 1.15 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 32.06 1r1t h PRO 46 CO 0.28 0.58 0.12 -0.91 -0.23 0.00 0.00 178.00 177.84 1r1t h ASN 47 N 0.90 1.01 -0.52 1.44 2.35 -1.97 -0.70 115.58 118.11 1r1t h ASN 47 Ca 0.44 -0.25 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 1r1t h ASN 47 Cb 0.47 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1r1t h ASN 47 CO -0.21 1.01 -0.03 0.03 -1.65 0.00 0.00 177.43 176.58 1r1t h ARG 48 N 0.98 0.94 -0.27 0.81 3.08 -1.76 -2.77 114.38 115.38 1r1t h ARG 48 Ca 0.20 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1r1t h ARG 48 Cb 0.41 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1r1t h ARG 48 CO 0.01 0.97 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.71 1r1t h LEU 49 N 0.80 0.43 -0.42 3.04 3.38 -0.90 -0.17 115.31 121.47 1r1t h LEU 49 Ca 0.14 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1r1t h LEU 49 Cb 0.57 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1r1t h LEU 49 CO 0.03 0.57 0.16 0.03 0.09 0.00 0.00 178.44 179.32 1r1t h ARG 50 N 0.42 0.63 -0.42 1.13 3.08 -0.95 -0.02 114.38 118.26 1r1t h ARG 50 Ca 0.08 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1r1t h ARG 50 Cb 0.44 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1r1t h ARG 50 CO 0.02 0.60 0.17 -0.07 -1.07 0.00 0.00 179.97 179.62 1r1t h LEU 51 N 0.53 0.57 -1.44 3.04 3.38 -1.17 -2.71 115.31 117.52 1r1t h LEU 51 Ca 0.14 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1r1t h LEU 51 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1r1t h LEU 51 CO -0.01 0.58 -0.15 -0.07 0.09 0.00 0.00 178.44 178.88 1r1t h LEU 52 N 0.53 0.17 -1.55 1.67 3.38 -0.78 -2.46 115.31 116.27 1r1t h LEU 52 Ca 0.14 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1r1t h LEU 52 Cb 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1r1t h LEU 52 CO -0.01 0.34 -0.23 0.77 0.09 0.00 0.00 178.44 179.40 1r1t h SER 53 N 0.17 0.00 0.11 -0.43 4.64 -0.67 -0.36 113.55 117.01 1r1t h SER 53 Ca 0.03 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.13 1r1t h SER 53 Cb 0.38 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1r1t h SER 53 CO 0.02 0.23 -0.96 -0.07 -0.87 0.00 0.00 176.83 175.19 1r1t h LEU 54 N 0.00 0.64 -1.63 5.97 3.38 -1.36 -3.24 115.31 119.07 1r1t h LEU 54 Ca -0.00 -0.87 -0.00 0.00 0.09 0.00 0.00 57.88 57.10 1r1t h LEU 54 Cb 0.43 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1r1t h LEU 54 CO 0.03 1.45 -0.02 -0.07 0.09 0.00 0.00 178.44 179.92 1r1t h LEU 55 N -0.07 0.00 -0.73 1.67 3.38 -1.16 -1.90 115.31 116.51 1r1t h LEU 55 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1r1t h LEU 55 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1r1t h LEU 55 CO 0.18 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.74 1r1t h ALA 56 N 1.98 1.00 0.00 1.53 0.00 -1.10 -3.20 119.26 119.47 1r1t h ALA 56 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r1t h ALA 56 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1r1t h ALA 56 CO 0.00 0.00 -1.51 0.54 0.00 0.00 0.00 179.25 178.28 1r1t n ARG 57 N -2.48 0.49 -3.60 0.00 1.74 -0.75 -5.05 116.66 107.00 1r1t n ARG 57 Ca 0.02 -0.11 -0.09 0.00 -0.77 0.00 0.00 57.85 56.90 1r1t n ARG 57 Cb 0.29 -1.28 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 1r1t n ARG 57 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1r1t s SER 58 N -3.35 -0.37 0.34 0.55 0.15 -0.98 -5.13 113.70 104.91 1r1t s SER 58 Ca -0.04 0.53 -0.28 0.00 0.70 0.00 0.00 55.95 56.86 1r1t s SER 58 Cb 0.08 0.48 -0.10 0.00 -1.71 0.00 0.00 66.02 64.76 1r1t s SER 58 CO 0.51 -0.25 1.27 -1.61 1.20 0.00 0.00 173.24 174.35 1r1t s GLU 59 N -0.61 4.34 0.00 5.44 2.02 -1.26 -4.19 118.70 124.44 1r1t s GLU 59 Ca 0.01 2.13 -0.09 0.00 0.02 0.00 0.00 54.97 57.04 1r1t s GLU 59 Cb -0.02 -3.03 0.01 0.00 0.10 0.00 0.00 34.13 31.18 1r1t s GLU 59 CO -0.02 -0.17 0.17 -0.51 0.02 0.00 0.00 175.26 174.75 1r1t s LEU 60 N -1.86 1.43 0.62 1.80 1.43 -0.74 -4.91 118.68 116.45 1r1t s LEU 60 Ca 0.50 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.38 1r1t s LEU 60 Cb -0.38 0.78 0.03 0.00 0.03 0.00 0.00 46.19 46.65 1r1t s LEU 60 CO 0.50 -0.39 0.92 0.00 0.23 0.00 0.00 176.35 177.61 1r1t h VAL 62 N -0.28 1.18 -0.57 0.00 2.07 -1.98 -1.78 116.25 114.88 1r1t h VAL 62 Ca -0.45 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1r1t h VAL 62 Cb 1.28 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1r1t h VAL 62 CO 0.60 0.19 0.38 1.23 0.02 0.00 0.00 177.57 179.98 1r1t h GLY 63 N 0.89 0.80 0.98 2.17 0.00 -1.94 0.30 103.07 106.28 1r1t h GLY 63 Ca 0.22 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 1r1t h GLY 63 CO -0.04 0.29 -0.12 -0.55 0.00 0.00 0.00 176.54 176.12 1r1t h ASP 64 N 0.77 0.78 -0.70 0.19 3.32 -1.82 -2.29 116.42 116.67 1r1t h ASP 64 Ca 0.21 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1r1t h ASP 64 Cb -0.08 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 1r1t h ASP 64 CO -0.05 0.98 0.40 -0.07 -1.72 0.00 0.00 179.24 178.78 1r1t h LEU 65 N 0.58 0.86 -0.52 1.55 3.38 -1.05 -0.58 115.31 119.53 1r1t h LEU 65 Ca 0.10 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1r1t h LEU 65 Cb 0.65 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1r1t h LEU 65 CO 0.04 0.70 0.21 0.00 0.09 0.00 0.00 178.44 179.48 1r1t h ALA 66 N 1.20 0.68 -0.16 1.53 0.00 -0.85 -2.11 119.26 119.56 1r1t h ALA 66 Ca 0.25 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1r1t h ALA 66 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1r1t h ALA 66 CO -0.04 0.29 -0.56 -0.56 0.00 0.00 0.00 179.25 178.38 1r1t h GLN 67 N 0.70 0.48 -0.68 0.00 3.07 -1.21 0.27 115.11 117.74 1r1t h GLN 67 Ca 0.17 -0.31 -0.08 0.00 0.09 0.00 0.00 58.65 58.52 1r1t h GLN 67 Cb 0.20 0.04 -0.03 0.00 0.08 0.00 0.00 27.48 27.77 1r1t h GLN 67 CO -0.01 0.91 0.11 0.00 0.09 0.00 0.00 178.83 179.92 1r1t h ALA 68 N 1.02 0.90 0.15 0.06 0.00 -0.96 -3.24 119.26 117.19 1r1t h ALA 68 Ca 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 54.91 54.35 1r1t h ALA 68 Cb 1.09 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1r1t h ALA 68 CO 0.10 0.67 -1.43 0.82 0.00 0.00 0.00 179.25 179.41 1r1t h ILE 69 N 1.05 1.09 0.00 0.00 2.04 -1.35 -3.49 117.51 116.85 1r1t h ILE 69 Ca 0.20 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.59 1r1t h ILE 69 Cb 0.45 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1r1t h ILE 69 CO 0.01 0.76 0.00 0.61 0.00 0.00 0.00 178.15 179.53 1r1t n GLY 70 N 1.76 1.93 3.44 5.37 0.00 0.84 -5.10 105.19 113.43 1r1t n GLY 70 Ca -0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 1r1t n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r1t s VAL 71 N -2.00 1.14 0.80 1.61 -7.23 -0.65 -5.03 120.40 109.04 1r1t s VAL 71 Ca 0.00 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.06 1r1t s VAL 71 Cb 0.00 -2.77 0.07 0.00 0.56 0.00 0.00 36.38 34.24 1r1t s VAL 71 CO 0.00 -0.01 1.10 -0.94 -0.31 0.00 0.00 175.10 174.94 1r1t s SER 72 N -3.47 4.23 0.29 4.85 1.04 -1.26 -4.42 113.70 114.96 1r1t s SER 72 Ca 0.36 1.87 0.11 0.00 0.48 0.00 0.00 55.95 58.77 1r1t s SER 72 Cb 0.09 -2.52 0.43 0.00 0.10 0.00 0.00 66.02 64.12 1r1t s SER 72 CO 0.15 -2.22 1.66 -0.33 0.98 0.00 0.00 173.24 173.48 1r1t h GLU 73 N -1.26 0.02 -0.65 4.02 5.08 -1.93 -2.35 114.58 117.52 1r1t h GLU 73 Ca -0.44 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 1r1t h GLU 73 Cb 1.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1r1t h GLU 73 CO 0.50 0.57 0.14 0.66 -1.00 0.00 0.00 179.01 179.89 1r1t h SER 74 N 0.01 0.98 0.01 1.42 4.64 -1.97 0.37 113.55 119.02 1r1t h SER 74 Ca -0.01 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1r1t h SER 74 Cb 0.99 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1r1t h SER 74 CO 0.07 0.95 -0.01 0.00 -0.87 0.00 0.00 176.83 176.98 1r1t h ALA 75 N 1.17 -0.02 -0.34 5.18 0.00 -1.84 -1.80 119.26 121.61 1r1t h ALA 75 Ca 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1r1t h ALA 75 Cb 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1r1t h ALA 75 CO 0.00 -0.44 0.16 0.28 0.00 0.00 0.00 179.25 179.26 1r1t h VAL 76 N -0.17 1.17 -0.82 0.00 2.07 -1.12 -2.10 116.25 115.29 1r1t h VAL 76 Ca -0.00 -0.49 0.11 0.00 0.82 0.00 0.00 66.70 67.13 1r1t h VAL 76 Cb 0.16 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 1r1t h VAL 76 CO 0.00 0.18 0.45 -1.28 0.02 0.00 0.00 177.57 176.94 1r1t h SER 77 N 0.42 0.61 -0.54 0.57 0.87 -0.16 0.18 113.55 115.50 1r1t h SER 77 Ca 0.12 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1r1t h SER 77 Cb 0.14 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1r1t h SER 77 CO -0.01 0.33 0.19 -0.74 -0.53 0.00 0.00 176.83 176.07 1r1t h HIS 78 N 0.73 0.84 -0.37 2.24 6.17 -1.05 -1.90 115.15 121.81 1r1t h HIS 78 Ca 0.41 -0.07 -0.10 0.00 0.71 0.00 0.00 60.37 61.31 1r1t h HIS 78 Cb 0.43 -0.25 -0.02 0.00 2.52 0.00 0.00 27.41 30.10 1r1t h HIS 78 CO -0.07 0.70 -0.20 1.96 0.71 0.00 0.00 177.93 181.03 1r1t h GLN 79 N 0.74 0.70 0.00 5.26 4.20 -0.56 -2.84 115.11 122.61 1r1t h GLN 79 Ca 0.18 -0.26 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1r1t h GLN 79 Cb 0.24 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1r1t h GLN 79 CO -0.01 0.84 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.59 1r1t h LEU 80 N 0.62 0.00 -0.37 1.46 3.38 -0.41 -2.83 115.31 117.16 1r1t h LEU 80 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1r1t h LEU 80 Cb 0.67 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1r1t h LEU 80 CO 0.05 0.33 0.19 -0.09 0.09 0.00 0.00 178.44 179.01 1r1t h ARG 81 N 0.00 0.52 -0.42 1.13 2.43 -1.09 0.89 114.38 117.84 1r1t h ARG 81 Ca -0.00 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1r1t h ARG 81 Cb 0.70 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1r1t h ARG 81 CO 0.04 0.45 0.23 0.77 -1.51 0.00 0.00 179.97 179.95 1r1t h SER 82 N 0.46 0.53 -0.11 -3.80 0.02 -1.58 -1.27 113.55 107.80 1r1t h SER 82 Ca 0.13 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1r1t h SER 82 Cb 0.09 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1r1t h SER 82 CO -0.02 0.47 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.07 1r1t h LEU 83 N 0.54 0.27 -0.08 5.07 3.38 -1.23 -0.89 115.31 122.38 1r1t h LEU 83 Ca 0.15 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1r1t h LEU 83 Cb 0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1r1t h LEU 83 CO -0.02 0.33 -0.11 0.03 0.09 0.00 0.00 178.44 178.76 1r1t h ARG 84 N 0.29 0.21 -0.14 1.13 3.08 -0.37 -0.60 114.38 117.98 1r1t h ARG 84 Ca 0.07 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1r1t h ARG 84 Cb 0.21 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1r1t h ARG 84 CO 0.00 0.67 0.02 -0.91 -1.07 0.00 0.00 179.97 178.68 1r1t h ASN 85 N -0.25 0.18 -0.33 7.04 -0.26 -0.85 -1.18 115.58 119.93 1r1t h ASN 85 Ca 0.01 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1r1t h ASN 85 Cb 0.65 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 1r1t h ASN 85 CO 0.02 0.20 0.00 0.18 -1.06 0.00 0.00 177.43 176.78 1r1t n LEU 86 N -4.43 1.89 -3.99 1.61 4.77 -0.37 -4.93 117.00 111.54 1r1t n LEU 86 Ca -0.01 -0.92 -0.30 0.00 -0.03 0.00 0.00 56.01 54.75 1r1t n LEU 86 Cb 0.14 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1r1t n LEU 86 CO 0.36 0.46 -0.00 -2.11 -1.33 0.00 0.00 177.39 174.76 1r1t n ARG 87 N 0.52 -4.42 -0.07 3.23 0.00 -0.45 -4.86 116.66 110.61 1r1t n ARG 87 Ca 0.13 0.50 -0.02 0.00 -0.00 0.00 0.00 57.85 58.46 1r1t n ARG 87 Cb 0.31 -5.19 -0.16 0.00 -0.00 0.00 0.00 32.46 27.42 1r1t n ARG 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1r1t n LEU 88 N -4.51 0.00 -4.17 2.89 4.77 -0.25 -4.72 117.00 111.00 1r1t n LEU 88 Ca -0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.82 1r1t n LEU 88 Cb 0.56 0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 41.85 1r1t n LEU 88 CO 0.78 0.31 -0.40 0.68 -1.33 0.00 0.00 177.39 177.43 1r1t s VAL 89 N -2.86 0.79 0.36 4.08 -7.23 -1.11 -1.11 120.40 113.32 1r1t s VAL 89 Ca -0.09 -1.81 0.06 0.00 -1.81 0.00 0.00 61.98 58.33 1r1t s VAL 89 Cb 0.09 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 1r1t s VAL 89 CO 0.85 -0.75 0.22 -0.94 -0.31 0.00 0.00 175.10 174.17 1r1t s SER 90 N -2.80 2.13 0.18 4.85 1.04 -0.40 -4.43 113.70 114.27 1r1t s SER 90 Ca 0.09 -1.74 -0.14 0.00 0.48 0.00 0.00 55.95 54.65 1r1t s SER 90 Cb 0.02 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.71 1r1t s SER 90 CO -0.03 -1.03 0.42 -0.72 0.98 0.00 0.00 173.24 172.86 1r1t s TYR 91 N -3.35 0.13 0.03 5.02 -0.85 -1.26 -1.56 117.35 115.50 1r1t s TYR 91 Ca 0.34 -0.48 -0.02 0.00 -0.52 0.00 0.00 57.07 56.39 1r1t s TYR 91 Cb 0.02 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.53 1r1t s TYR 91 CO 0.23 -0.84 -0.00 -0.98 -1.52 0.00 0.00 175.55 172.44 1r1t s ARG 92 N -3.92 0.46 -0.10 -3.49 1.70 -0.53 -4.99 118.95 108.07 1r1t s ARG 92 Ca 0.13 -0.82 0.01 0.00 -0.47 0.00 0.00 55.73 54.59 1r1t s ARG 92 Cb 0.01 0.16 -0.02 0.00 -0.57 0.00 0.00 34.95 34.54 1r1t s ARG 92 CO -0.01 -0.09 -0.13 0.15 -1.08 0.00 0.00 175.30 174.14 1r1t s LYS 93 N -2.41 3.11 -0.09 3.89 1.02 -1.26 -1.27 119.74 122.72 1r1t s LYS 93 Ca -0.07 -0.68 -0.04 0.00 0.02 0.00 0.00 55.97 55.20 1r1t s LYS 93 Cb -0.03 -2.55 0.05 0.00 -0.52 0.00 0.00 37.83 34.78 1r1t s LYS 93 CO -0.04 0.35 0.18 -1.14 -0.92 0.00 0.00 175.35 173.77 1r1t s GLN 94 N -0.00 0.06 7.78 1.68 0.74 -0.63 -5.03 119.66 124.25 1r1t s GLN 94 Ca -0.04 0.57 0.00 0.00 0.05 0.00 0.00 55.36 55.94 1r1t s GLN 94 Cb -0.14 -0.22 0.00 0.00 1.10 0.00 0.00 33.01 33.74 1r1t s GLN 94 CO 0.04 -0.29 0.00 0.41 -0.55 0.00 0.00 175.29 174.90 1r1t n GLY 95 N 5.18 3.49 1.78 2.59 0.00 -1.26 -1.36 105.19 115.61 1r1t n GLY 95 Ca -0.08 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1r1t n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r1t n ARG 96 N 13.95 4.45 -4.33 1.61 1.74 -1.26 -4.95 116.66 127.88 1r1t n ARG 96 Ca 0.00 -3.07 -0.28 0.00 -0.77 0.00 0.00 57.85 53.73 1r1t n ARG 96 Cb 0.00 -2.13 -0.11 0.00 -1.02 0.00 0.00 32.46 29.20 1r1t n ARG 96 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1r1t s HIS 97 N -2.42 2.49 -0.22 -1.55 3.76 -0.46 -5.11 115.29 111.78 1r1t s HIS 97 Ca 0.54 -0.28 0.01 0.00 -0.15 0.00 0.00 55.06 55.17 1r1t s HIS 97 Cb 0.38 -1.29 0.05 0.00 1.11 0.00 0.00 32.58 32.84 1r1t s HIS 97 CO 0.19 0.43 -0.09 0.08 -0.85 0.00 0.00 174.74 174.50 1r1t s VAL 98 N -1.34 1.69 -0.21 -0.90 1.01 -1.26 -1.61 120.40 117.78 1r1t s VAL 98 Ca 0.19 -1.17 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 1r1t s VAL 98 Cb -0.10 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1r1t s VAL 98 CO 0.11 0.06 0.10 -0.31 0.00 0.00 0.00 175.10 175.06 1r1t s TYR 99 N 1.35 3.29 0.27 5.22 1.51 -0.40 -4.24 117.35 124.36 1r1t s TYR 99 Ca -0.04 0.14 -0.02 0.00 -1.01 0.00 0.00 57.07 56.15 1r1t s TYR 99 Cb -0.18 -2.16 -0.04 0.00 -0.11 0.00 0.00 41.96 39.47 1r1t s TYR 99 CO -0.07 0.13 0.49 0.71 -1.11 0.00 0.00 175.55 175.70 1r1t s TYR 100 N 0.62 3.48 0.25 2.71 1.51 0.66 -1.46 117.35 125.13 1r1t s TYR 100 Ca 0.06 0.45 -0.18 0.00 -1.01 0.00 0.00 57.07 56.38 1r1t s TYR 100 Cb -0.12 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 39.79 1r1t s TYR 100 CO 0.01 0.24 0.61 1.14 -1.11 0.00 0.00 175.55 176.45 1r1t s GLN 101 N -3.65 1.64 0.45 -0.62 -2.07 -0.60 -1.79 119.66 113.01 1r1t s GLN 101 Ca 0.41 -1.03 -0.23 0.00 -1.82 0.00 0.00 55.36 52.69 1r1t s GLN 101 Cb -0.11 0.55 -0.08 0.00 -1.09 0.00 0.00 33.01 32.29 1r1t s GLN 101 CO 0.31 -0.72 1.12 -0.51 -1.32 0.00 0.00 175.29 174.17 1r1t s LEU 102 N -2.94 4.02 0.24 2.60 1.43 -1.26 -1.28 118.68 121.48 1r1t s LEU 102 Ca 0.14 2.19 -0.05 0.00 -1.03 0.00 0.00 54.13 55.38 1r1t s LEU 102 Cb -0.03 -4.28 0.43 0.00 0.03 0.00 0.00 46.19 42.34 1r1t s LEU 102 CO 0.05 -0.81 1.72 -0.61 0.23 0.00 0.00 176.35 176.93 1r1t h GLN 103 N 2.07 0.38 -2.96 1.70 -0.00 -1.38 -3.41 115.11 111.52 1r1t h GLN 103 Ca -0.49 -0.02 0.03 0.00 -0.00 0.00 0.00 58.65 58.17 1r1t h GLN 103 Cb 1.24 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 28.61 1r1t h GLN 103 CO 0.60 0.25 0.28 0.34 0.00 0.00 0.00 178.83 180.30 1r1t s ASP 104 N -5.32 -0.11 0.52 -0.69 3.68 -1.26 -4.87 116.67 108.62 1r1t s ASP 104 Ca -0.13 -0.89 0.28 0.00 2.13 0.00 0.00 52.55 53.94 1r1t s ASP 104 Cb 0.20 0.78 1.44 0.00 -1.45 0.00 0.00 42.92 43.89 1r1t s ASP 104 CO 0.76 -1.50 2.06 -0.74 0.13 0.00 0.00 175.17 175.88 1r1t h HIS 105 N 2.00 0.00 -0.67 -5.34 -0.00 -2.00 -2.45 115.15 106.68 1r1t h HIS 105 Ca -0.26 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.04 1r1t h HIS 105 Cb 1.25 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.63 1r1t h HIS 105 CO 0.96 0.12 0.18 0.45 -0.00 0.00 0.00 177.93 179.64 1r1t h HIS 106 N 0.00 1.09 -0.59 5.26 3.86 -1.98 -0.13 115.15 122.66 1r1t h HIS 106 Ca -0.00 -0.11 -0.06 0.00 -1.16 0.00 0.00 60.37 59.04 1r1t h HIS 106 Cb 0.35 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1r1t h HIS 106 CO 0.00 0.88 0.14 0.82 0.86 0.00 0.00 177.93 180.63 1r1t h ILE 107 N 1.00 1.25 -0.12 2.45 1.08 -1.84 0.21 117.51 121.54 1r1t h ILE 107 Ca 0.21 -0.90 -0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1r1t h ILE 107 Cb 0.33 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 1r1t h ILE 107 CO -0.00 0.34 0.06 0.58 -0.69 0.00 0.00 178.15 178.43 1r1t h VAL 108 N 0.85 1.11 -0.66 1.67 2.07 -1.43 -1.41 116.25 118.45 1r1t h VAL 108 Ca 0.18 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1r1t h VAL 108 Cb 0.35 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1r1t h VAL 108 CO 0.00 0.10 0.28 0.00 0.02 0.00 0.00 177.57 177.97 1r1t h ALA 109 N 0.94 0.86 -0.13 1.67 0.00 -0.81 -0.55 119.26 121.24 1r1t h ALA 109 Ca 0.04 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1r1t h ALA 109 Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1r1t h ALA 109 CO -0.01 0.46 -0.62 1.37 0.00 0.00 0.00 179.25 180.46 1r1t h LEU 110 N 0.93 0.51 -0.01 0.00 8.10 -0.89 -1.30 115.31 122.65 1r1t h LEU 110 Ca 0.22 -0.30 -0.00 0.00 0.11 0.00 0.00 57.88 57.92 1r1t h LEU 110 Cb 0.18 -0.15 -0.00 0.00 -0.44 0.00 0.00 40.66 40.25 1r1t h LEU 110 CO -0.02 1.01 0.00 0.22 -4.11 0.00 0.00 178.44 175.54 1r1t h TYR 111 N 0.33 0.02 -0.55 0.17 3.20 -1.06 -1.29 116.97 117.80 1r1t h TYR 111 Ca -0.01 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1r1t h TYR 111 Cb 1.16 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 1r1t h TYR 111 CO 0.04 0.24 0.19 0.37 -1.64 0.00 0.00 178.16 177.36 1r1t h GLN 112 N -0.20 0.83 -0.45 1.82 5.75 -1.08 -1.23 115.11 120.56 1r1t h GLN 112 Ca 0.00 -0.17 -0.07 0.00 -0.15 0.00 0.00 58.65 58.26 1r1t h GLN 112 Cb 0.23 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1r1t h GLN 112 CO 0.00 0.75 -0.03 -0.91 -2.65 0.00 0.00 178.83 175.99 1r1t h ASN 113 N 0.75 0.73 -0.31 -0.69 2.35 -1.21 -0.16 115.58 117.04 1r1t h ASN 113 Ca 0.18 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1r1t h ASN 113 Cb 0.24 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1r1t h ASN 113 CO -0.01 0.81 -0.03 0.00 -1.65 0.00 0.00 177.43 176.55 1r1t h ALA 114 N 1.27 0.42 -0.43 -0.83 0.00 -1.00 -1.11 119.26 117.58 1r1t h ALA 114 Ca 0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1r1t h ALA 114 Cb 0.47 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1r1t h ALA 114 CO 0.02 0.21 0.26 1.25 0.00 0.00 0.00 179.25 180.99 1r1t h LEU 115 N 0.35 0.52 -1.07 0.00 5.85 -0.96 -2.35 115.31 117.65 1r1t h LEU 115 Ca 0.08 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1r1t h LEU 115 Cb 0.50 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1r1t h LEU 115 CO 0.02 0.43 0.06 0.44 -0.34 0.00 0.00 178.44 179.05 1r1t h ASP 116 N 0.57 0.68 -0.77 1.25 3.32 -0.92 -2.51 116.42 118.04 1r1t h ASP 116 Ca 0.16 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1r1t h ASP 116 Cb 0.00 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 1r1t h ASP 116 CO -0.03 0.71 0.44 -0.74 -1.72 0.00 0.00 179.24 177.90 1r1t h HIS 117 N 0.69 1.05 0.00 4.55 -0.00 -0.84 -3.51 115.15 117.09 1r1t h HIS 117 Ca 0.15 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 1r1t h HIS 117 Cb 0.34 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1r1t h HIS 117 CO 0.02 0.72 0.00 1.28 -0.00 0.00 0.00 177.93 179.95